3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol

C13H17F4NO — CID 144501999

IUPAC3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol
SMILESCO.FC1CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F4N.CH4O/c13-11-4-5-17(8-11)7-9-2-1-3-10(6-9)12(14,15)16;1-2/h1-3,6,11H,4-5,7-8H2;2H,1H3
InChIKeyHGGLUFKOTGYDGU-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.86
Rot. Bonds2

About 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol

3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol (PubChem CID 144501999) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol.

Molecular Properties

Compound Name3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol
PubChem CID144501999
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol
SMILESCO.FC1CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H13F4N.CH4O/c13-11-4-5-17(8-11)7-9-2-1-3-10(6-9)12(14,15)16;1-2/h1-3,6,11H,4-5,7-8H2;2H,1H3
InChIKeyHGGLUFKOTGYDGU-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
The IUPAC name of 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol (CID 144501999) is 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol.
What is the SMILES notation for 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
The canonical SMILES for 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol is CO.FC1CCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
The InChIKey is HGGLUFKOTGYDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N.CH4O/c13-11-4-5-17(8-11)7-9-2-1-3-10(6-9)12(14,15)16;1-2/h1-3,6,11H,4-5,7-8H2;2H,1H3.
What are the key properties of 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol has a molecular weight of 279.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol is sourced from PubChem (CID 144501999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).